2-{[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]Methyl}-1,3-Propanediyl Bis(2,2-Dimethylpropanoate)
[CAS# 491611-55-3]

Identification

• Name: 2-{[2-Chloro-6-(Methylamino)-9H-Purin-9-Yl]Methyl}-1,3-Propanediyl Bis(2,2-Dimethylpropanoate)
• Synonyms: 2,2-Dimethyl-propionic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-(2,2-dimethyl-propionyloxymethyl)-propyl ester; 2,2-DIMETHYL-PROPIONICACID3- -2- -PROPYLESTER
• Molecular Formula: C₂₀H₃₀ClN₅O₄
• Molecular Weight: 439.94
• CAS Registry Number: 491611-55-3
• SMILES: CC(C)(C)C(=O)OCC(CN1C=NC2=C(N=C(N=C21)Cl)NC)COC(=O)C(C)(C)C
• InChI: 1S/C20H30ClN5O4/c1-19(2,3)16(27)29-9-12(10-30-17(28)20(4,5)6)8-26-11-23-13-14(22-7)24-18(21)25-15(13)26/h11-12H,8-10H2,1-7H3,(H,22,24,25)
• InChIKey: NASABYJQIYJDID-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 551.8±60.0°C at 760 mmHg (Cal.)
• Flash point: 287.5±32.9°C (Cal.)
• Refractive index: 1.572 (Cal.)